SCHEMBL19634480

SCHEMBL19634480

CCCCCCN1CCN(CCOC)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 6/20 0.57
GNAO1 P09471 6/20 0.57
GNAI1 P63096 6/20 0.57
LTA4H P09960 1/20 0.46
HTR1A P08908 1/20 0.45
KDM4E B2RXH2 2/20 0.45
S1PR1 P21453 1/20 0.45
S1PR3 Q99500 1/20 0.45
S1PR5 Q9H228 1/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 1/20 0.44
GUSB P08236 2/20 0.41
EBP Q15125 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23471206 1.00 GNAI3 (0.57) GNAI3GNAO1GNAI1LTA4HHTR1A
SCHEMBL793522 0.98 GNAI3 (0.53) GNAI3GNAO1GNAI1LTA4HHTR1A
SCHEMBL19865645 0.92 GNAI3 (0.57) GNAI3GNAO1GNAI1LTA4HHTR1A
SCHEMBL793883 0.91 GNAI3 (0.45) GNAI3GNAO1GNAI1LTA4HHTR1A
SCHEMBL25135123 0.91 GNAI3 (0.45) GNAI3GNAO1GNAI1LTA4HHTR1A
SCHEMBL21016223 0.90 GNAI3 (0.47) GNAI3GNAO1GNAI1LTA4HHTR1A
SCHEMBL23471324 0.90 GNAI3 (0.47) GNAI3GNAO1GNAI1LTA4HHTR1A
SCHEMBL19634476 0.88 GNAI3 (0.44) GNAI3GNAO1GNAI1LTA4HHTR1A
SCHEMBL21303867 0.88 GNAI3 (0.52) GNAI3GNAO1GNAI1LTA4HHTR1A
SCHEMBL21477161 0.88 GNAI3 (0.52) GNAI3GNAO1GNAI1LTA4HHTR1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3831841-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T Global Inc. (US) 2021-06-09 EP disclosed
WO-2017200984-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2017-11-23 WO disclosed